3-(3-oxidanylidenebutanoylcarbamoyl)benzenesulfonic acid

Systemtic Name: 3-(3-oxidanylidenebutanoylcarbamoyl)benzenesulfonic acid Openeye Name: 3-(3-oxobutanoylcarbamoyl)benzenesulfonic acid CAS Name: 3-[(1,3-dioxobutylamino)-oxomethyl]benzenesulfonic acid IUPAC Name: 3-(3-oxobutanoylcarbamoyl)benzenesulfonic acid Traditional Name: 3-(acetoacetylcarbamoyl)besylic acid Formula: C11H11NO6S MolecularWeight: 285.27314

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CC(=O)NC(=O)C1=CC(=CC=C1)S(=O)(=O)O

Isomeric SMILES

CC(=O)CC(=O)NC(=O)C1=CC(=CC=C1)S(=O)(=O)O

InChI

InChI=1S/C11H11NO6S/c1-7(13)5-10(14)12-11(15)8-3-2-4-9(6-8)19(16,17)18/h2-4,6H,5H2,1H3,(H,12,14,15)(H,16,17,18)